TQR
  CCTOOLS-0919241035

 30 31  0  0  1  0  0  0  0  0999 V2000
   -1.2480    0.3510   -0.4420 N   0  0  0  0  0
   -5.0980   -0.6100    0.5050 N   0  0  0  0  0
    0.1470    0.6740   -0.7510 C   0  0  0  0  0
    3.6340   -1.3620   -0.3040 C   0  0  0  0  0
   -1.5340   -0.4640    0.5900 C   0  0  0  0  0
   -3.8010   -0.2840    0.1830 C   0  0  0  0  0
   -3.5360    0.5820   -0.8990 C   0  0  0  0  0
    2.7080   -0.2060   -0.6860 C   0  0  0  0  0
    2.3380    0.6330    0.5540 C   0  0  0  0  0
    0.8980    1.1280    0.5180 C   0  0  0  0  0
   -2.2500    0.8830   -1.1970 C   0  0  0  0  0
   -2.7930   -0.7730    0.8930 N   0  0  0  0  0
    3.2130    1.7600    0.6270 O   0  0  0  0  0
    0.8990    2.5560    0.5680 O   0  0  0  0  0
    3.0240   -2.1400    0.7280 O   0  0  0  0  0
   -0.6250   -0.9270    1.2580 O   0  0  0  0  0
    1.0730   -0.8370   -1.2450 S   0  0  0  0  0
   -5.2780   -1.2000    1.2540 H   0  0  0  0  0
   -5.8330   -0.2500   -0.0160 H   0  0  0  0  0
    0.2040    1.4340   -1.5300 H   0  0  0  0  0
    3.8100   -1.9910   -1.1770 H   0  0  0  0  0
    4.5830   -0.9640    0.0540 H   0  0  0  0  0
   -4.3450    0.9920   -1.4840 H   0  0  0  0  0
    3.1670    0.4180   -1.4530 H   0  0  0  0  0
    2.4770    0.0220    1.4470 H   0  0  0  0  0
    0.3740    0.7450    1.3940 H   0  0  0  0  0
   -2.0210    1.5370   -2.0250 H   0  0  0  0  0
    4.1470    1.5280    0.7230 H   0  0  0  0  0
    1.3530    2.9220    1.3400 H   0  0  0  0  0
    3.5570   -2.8920    1.0210 H   0  0  0  0  0
  1  5  1  0  0  0
  1  3  1  0  0  0
  2  6  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3 17  1  0  0  0
  3 20  1  0  0  0
  4 15  1  0  0  0
  4  8  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5 16  2  0  0  0
  6 12  2  0  0  0
  7 11  2  0  0  0
  7  6  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  8 24  1  0  0  0
  9 13  1  0  0  0
  9 25  1  0  0  0
 10 14  1  0  0  0
 10  3  1  0  0  0
 10  9  1  0  0  0
 10 26  1  0  0  0
 11  1  1  0  0  0
 11 27  1  0  0  0
 12  5  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
M  END
$$$$